morpholin-2-ylmethyl 2,2,2-trifluoroacetate

C7H10F3NO3 — CID 11206644

IUPACmorpholin-2-ylmethyl 2,2,2-trifluoroacetate
SMILESO=C(OCC1CNCCO1)C(F)(F)F
InChIInChI=1S/C7H10F3NO3/c8-7(9,10)6(12)14-4-5-3-11-1-2-13-5/h5,11H,1-4H2
InChIKeyKDFZHTZAGWNFHV-UHFFFAOYSA-N
MW213.15 g/mol
LogP0.08
Rot. Bonds2

About morpholin-2-ylmethyl 2,2,2-trifluoroacetate

morpholin-2-ylmethyl 2,2,2-trifluoroacetate (PubChem CID 11206644) has the molecular formula C7H10F3NO3 and a molecular weight of 213.15 g/mol. Its IUPAC name is morpholin-2-ylmethyl 2,2,2-trifluoroacetate.

Molecular Properties

Compound Namemorpholin-2-ylmethyl 2,2,2-trifluoroacetate
PubChem CID11206644
Molecular FormulaC7H10F3NO3
Molecular Weight213.15 g/mol
Exact Mass213.06
IUPAC Namemorpholin-2-ylmethyl 2,2,2-trifluoroacetate
SMILESO=C(OCC1CNCCO1)C(F)(F)F
InChIInChI=1S/C7H10F3NO3/c8-7(9,10)6(12)14-4-5-3-11-1-2-13-5/h5,11H,1-4H2
InChIKeyKDFZHTZAGWNFHV-UHFFFAOYSA-N
XLogP0.08
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.15
LogP ≤ 50.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

Morpholin-4-ium 2,2,2-trifluoroacetate
CID 71673346
Methyl 6-(trifluoromethyl)morpholine-2-carboxylate hydrochloride
CID 165674477
Piperidin-3-yl 2,2,2-trifluoroacetate
CID 22357484
2-Morpholinemethanol 2,2,2-trifluoroacetate salt
CID 66662889
(R)-Morpholin-2-ylmethanol 2,2,2-trifluoroacetate salt
CID 66662997
[(2R)-morpholin-2-yl]methyl 2,2,2-trifluoroacetate
CID 66662998
2-Methylmorpholin-4-ium;2,2,2-trifluoroacetate
CID 67341472
2-Methylmorpholine trifluoroacetate
CID 68841730
Morpholin-2-ylmethyl 2,2,2-trifluoroacetate;2,2,2-trifluoroacetic acid
CID 86211438
2-(Difluoromethoxymethyl)morpholine
CID 114782815
(2,2,2-Trifluoroacetyl) morpholine-2-carboxylate
CID 132087060
[(2S)-morpholin-2-yl]methanol;2,2,2-trifluoroacetic acid
CID 133634266

Frequently Asked Questions

What is the IUPAC name of morpholin-2-ylmethyl 2,2,2-trifluoroacetate?
The IUPAC name of morpholin-2-ylmethyl 2,2,2-trifluoroacetate (CID 11206644) is morpholin-2-ylmethyl 2,2,2-trifluoroacetate.
What is the SMILES notation for morpholin-2-ylmethyl 2,2,2-trifluoroacetate?
The canonical SMILES for morpholin-2-ylmethyl 2,2,2-trifluoroacetate is O=C(OCC1CNCCO1)C(F)(F)F.
What is the InChIKey of morpholin-2-ylmethyl 2,2,2-trifluoroacetate?
The InChIKey is KDFZHTZAGWNFHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10F3NO3/c8-7(9,10)6(12)14-4-5-3-11-1-2-13-5/h5,11H,1-4H2.
What are the key properties of morpholin-2-ylmethyl 2,2,2-trifluoroacetate?
morpholin-2-ylmethyl 2,2,2-trifluoroacetate has a molecular weight of 213.15 g/mol, XLogP of 0.08, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for morpholin-2-ylmethyl 2,2,2-trifluoroacetate is sourced from PubChem (CID 11206644), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).